Geometry & MOs

Info

ID:	356742
PubChem CID:	127292223
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	2.05
IP(EA), eV:	-8.97(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NC2CCN(CC2)C3CC3

DOS

IR

Vibrations